4-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide

C22H17ClN6O3S — CID 70814435

IUPAC4-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)nc(-c2ccccn2)n1
InChIInChI=1S/C22H17ClN6O3S/c1-14-25-20(19-8-4-5-13-24-19)27-22(26-14)28-21(30)15-9-11-16(12-10-15)33(31,32)29-18-7-3-2-6-17(18)23/h2-13,29H,1H3,(H,25,26,27,28,30)
InChIKeyVJWIXRPORGEWKK-UHFFFAOYSA-N
MW480.94 g/mol
LogP3.95
Rot. Bonds6

About 4-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide

4-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide (PubChem CID 70814435) has the molecular formula C22H17ClN6O3S and a molecular weight of 480.94 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
PubChem CID70814435
Molecular FormulaC22H17ClN6O3S
Molecular Weight480.94 g/mol
Exact Mass480.08
IUPAC Name4-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)nc(-c2ccccn2)n1
InChIInChI=1S/C22H17ClN6O3S/c1-14-25-20(19-8-4-5-13-24-19)27-22(26-14)28-21(30)15-9-11-16(12-10-15)33(31,32)29-18-7-3-2-6-17(18)23/h2-13,29H,1H3,(H,25,26,27,28,30)
InChIKeyVJWIXRPORGEWKK-UHFFFAOYSA-N
XLogP3.95
TPSA126.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.94
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide?
The IUPAC name of 4-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide (CID 70814435) is 4-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide?
The canonical SMILES for 4-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide is Cc1nc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)nc(-c2ccccn2)n1.
What is the InChIKey of 4-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide?
The InChIKey is VJWIXRPORGEWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN6O3S/c1-14-25-20(19-8-4-5-13-24-19)27-22(26-14)28-21(30)15-9-11-16(12-10-15)33(31,32)29-18-7-3-2-6-17(18)23/h2-13,29H,1H3,(H,25,26,27,28,30).
What are the key properties of 4-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide?
4-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide has a molecular weight of 480.94 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide is sourced from PubChem (CID 70814435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).